EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H12N2O5 |
| Net Charge | 0 |
| Average Mass | 228.204 |
| Monoisotopic Mass | 228.07462 |
| SMILES | COC(=O)C1(C(=O)OC)CC(C#N)ON1C |
| InChI | InChI=1S/C9H12N2O5/c1-11-9(7(12)14-2,8(13)15-3)4-6(5-10)16-11/h6H,4H2,1-3H3 |
| InChIKey | OFZDFXKKNJOCHZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS1866) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Cyano-5,5-dimethoxycarbonyl-N-methylisoxazolidine (CHEBI:183279) has functional parent α-amino acid (CHEBI:33704) |
| 3-Cyano-5,5-dimethoxycarbonyl-N-methylisoxazolidine (CHEBI:183279) is a organonitrogen compound (CHEBI:35352) |
| 3-Cyano-5,5-dimethoxycarbonyl-N-methylisoxazolidine (CHEBI:183279) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| dimethyl 5-cyano-2-methyl-1,2-oxazolidine-3,3-dicarboxylate |
| Manual Xrefs | Databases |
|---|---|
| 519790 | ChemSpider |